SCHEMBL4513530

SCHEMBL4513530

Cc1ccc(Cl)cc1-c1ccc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)nc1C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B2 P37059 1/20 0.53
KDM1A O60341 2/20 0.53
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
HSD11B1 P28845 1/20 0.46
CCR1 P32246 1/20 0.45
CCR2 P41597 1/20 0.45
CCR4 P51679 1/20 0.45
PKM P14618 1/20 0.45
SLC40A1 Q9NP59 1/20 0.44
TSHR P16473 1/20 0.44
IDH1 O75874 2/20 0.44
SLC20A2 Q08357 1/20 0.44
SLC20A1 Q8WUM9 1/20 0.44
CA2 P00918 2/20 0.43
CA1 P00915 1/20 0.43
MMP1 P03956 1/20 0.43
MMP2 P08253 1/20 0.43
MMP9 P14780 1/20 0.43
MMP8 P22894 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4493965 0.92 KDM1A (0.53) HSD17B2KDM1AMEN1KMT2AHSD11B1
SCHEMBL4505326 0.91 KDM1A (0.53) HSD17B2KDM1AMEN1KMT2AHSD11B1
SCHEMBL4502416 0.88 HSD17B2 (0.51) HSD17B2KDM1AMEN1KMT2AHSD11B1
SCHEMBL4500378 0.85 MEN1 (0.54) HSD17B2KDM1AMEN1KMT2AHSD11B1
SCHEMBL4500132 0.84 MEN1 (0.50) HSD17B2KDM1AMEN1KMT2AHSD11B1
SCHEMBL4506739 0.84 HSD17B2 (0.53) HSD17B2KDM1AMEN1KMT2ACCR1
SCHEMBL4488545 0.83 MEN1 (0.49) HSD17B2KDM1AMEN1KMT2AHSD11B1
SCHEMBL4489474 0.83 HSD17B2 (0.49) HSD17B2KDM1AMEN1KMT2AHSD11B1
SCHEMBL4502195 0.83 HSD17B2 (0.47) HSD17B2KDM1AMEN1KMT2AHSD11B1
SCHEMBL4489745 0.82 IDH2 (0.50) HSD17B2KDM1AMEN1KMT2AHSD11B1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8211913-B2 5-aryl pyridines as 11-beta inhibitors for the treatment of diabetes HOFFMANN-LA ROCHE INC. (US) 2012-07-03 US claimed
CN-100589803-C Aryl-pyridine derivatives HOFFMANN LA ROCHE 2010-02-17 CN claimed
US-20090149503-A1 NEW 5-ARYL PYRIDINES AS 11-BETA INHIBITORS FOR THE TREATMENT OF DIABETES AMREIN KURT 2009-06-11 US claimed
US-7528159-B2 5-aryl pyridines as 11-beta inhibitors for the treatment of diabetes HOFFMANN-LA ROCHE INC. (US) 2009-05-05 US claimed
EP-1789041-B1 ARYL-PYRIDINE DERIVATIVES AS 11-BETA-HSD1 INHIBITORS HOFFMANN LA ROCHE (CH) 2008-07-09 EP claimed
CN-1988905-A Aryl-pyridine derivatives HOFFMANN LA ROCHE (CH) 2007-06-27 CN claimed
EP-1789041-A2 ARYL-PYRIDINE DERIVATIVES AS 11-BETA-HSD1 INHIBITORS F. Hoffmann-Roche AG (CH) 2007-05-30 EP claimed
US-20060025455-A1 New 5-aryl pyridines as 11-beta inhibitors for the treatment of diabetes HOFFMANN-LA ROCHE INC. 2006-02-02 US claimed
WO-2006010546-A2 ARYL-PYRIDINE DERIVATIVES AS 11-BETA-HSD1 INHIBITORS F. HOFFMAN-LA ROCHE AG (CH) 2006-02-02 WO claimed
US-8211913-B2 5-aryl pyridines as 11-beta inhibitors for the treatment of diabetes HOFFMANN-LA ROCHE INC. (US) 2012-07-03 US disclosed
CN-100589803-C Aryl-pyridine derivatives HOFFMANN LA ROCHE 2010-02-17 CN disclosed
US-20090149503-A1 NEW 5-ARYL PYRIDINES AS 11-BETA INHIBITORS FOR THE TREATMENT OF DIABETES AMREIN KURT 2009-06-11 US disclosed
US-7528159-B2 5-aryl pyridines as 11-beta inhibitors for the treatment of diabetes HOFFMANN-LA ROCHE INC. (US) 2009-05-05 US disclosed
EP-1789041-B1 ARYL-PYRIDINE DERIVATIVES AS 11-BETA-HSD1 INHIBITORS HOFFMANN LA ROCHE (CH) 2008-07-09 EP disclosed
CN-1988905-A Aryl-pyridine derivatives HOFFMANN LA ROCHE (CH) 2007-06-27 CN disclosed
EP-1789041-A2 ARYL-PYRIDINE DERIVATIVES AS 11-BETA-HSD1 INHIBITORS F. Hoffmann-Roche AG (CH) 2007-05-30 EP disclosed
US-20060025455-A1 New 5-aryl pyridines as 11-beta inhibitors for the treatment of diabetes HOFFMANN-LA ROCHE INC. 2006-02-02 US disclosed
WO-2006010546-A2 ARYL-PYRIDINE DERIVATIVES AS 11-BETA-HSD1 INHIBITORS F. HOFFMAN-LA ROCHE AG (CH) 2006-02-02 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090149503-A1 NEW 5-ARYL PYRIDINES AS 11-BETA INHIBITORS FOR THE TREATMENT OF DIABETES GPR119, CYP4B1, SLC5A1 HSD17B2 175/4885KDM1A 1893/4885MEN1 2634/4885
US-20060025455-A1 New 5-aryl pyridines as 11-beta inhibitors for the treatment of diabetes GPR119, CYP4B1, SLC5A1 HSD17B2 175/4885KDM1A 1893/4885MEN1 2634/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.